HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10176",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10174",
"results": [
{
"id": "mp-1103803",
"created_at": "2022-09-04T14:39:45.829913Z",
"structure_string": "Rb2 La1 Nb2 O8\n1.0\n3.917062 0.000000 0.000000\n0.000000 3.917062 0.000000\n0.000000 0.000000 14.841559\nRb La Nb O\n2 1 2 8\ndirect\n0.000000 0.000000 0.614898 Rb\n0.000000 0.000000 0.385102 Rb\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.844780 Nb\n0.500000 0.500000 0.155220 Nb\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.722889 O\n0.500000 0.500000 0.277111 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.875201 O\n0.000000 0.500000 0.875201 O\n0.500000 0.000000 0.124799 O\n0.000000 0.500000 0.124799 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"La",
"Nb",
"O"
],
"chemical_system": "La-Nb-O-Rb",
"density": 4.5476699125158735,
"density_atomic": 0.05708775151698266,
"volume": 227.71960104494073,
"volume_molar": 10.548919163874432,
"formula_full": "Rb2 La1 Nb2 O8",
"formula_reduced": "Rb2LaNb2O8",
"formula_anonymous": "AB2C2D8",
"energy": -103.42011664,
"energy_per_atom": -7.955393587692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.92411664,
"band_gap": 0.3437000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.0052859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.801000Z",
"spacegroup": 123
},
{
"id": "mp-1211537",
"created_at": "2022-09-04T14:41:30.867166Z",
"structure_string": "Rb4 La4 Se8 O52\n1.0\n9.774640 0.000000 0.000000\n0.000000 6.462088 0.000000\n0.000000 1.407759 19.615099\nRb La Se O\n4 4 8 52\ndirect\n0.987336 0.293448 0.380931 Rb\n0.012664 0.706552 0.619069 Rb\n0.487336 0.706552 0.119069 Rb\n0.512664 0.293448 0.880931 Rb\n0.915367 0.294441 0.135435 La\n0.084633 0.705559 0.864565 La\n0.415367 0.705559 0.364565 La\n0.584633 0.294441 0.635435 La\n0.218866 0.358268 0.021381 Se\n0.781134 0.641732 0.978619 Se\n0.718866 0.641732 0.478619 Se\n0.281134 0.358268 0.521381 Se\n0.239836 0.118713 0.236212 Se\n0.760164 0.881287 0.763788 Se\n0.739836 0.881287 0.263788 Se\n0.260164 0.118713 0.736212 Se\n0.031951 0.686136 0.157524 O\n0.968049 0.313864 0.842476 O\n0.531951 0.313864 0.342476 O\n0.468049 0.686136 0.657524 O\n0.078087 0.221880 0.048537 O\n0.921913 0.778120 0.951463 O\n0.578087 0.778120 0.451463 O\n0.421913 0.221880 0.548537 O\n0.503016 0.161981 0.381476 O\n0.496984 0.838019 0.618524 O\n0.003016 0.838019 0.118524 O\n0.996984 0.161981 0.881476 O\n0.761274 0.009992 0.187548 O\n0.238726 0.990008 0.812452 O\n0.261274 0.990008 0.312452 O\n0.738726 0.009992 0.687548 O\n0.340765 0.372047 0.233706 O\n0.659235 0.627953 0.766294 O\n0.840765 0.627953 0.266294 O\n0.159235 0.372047 0.733706 O\n0.317514 0.463116 0.441099 O\n0.682486 0.536884 0.558901 O\n0.817514 0.536884 0.058901 O\n0.182486 0.463116 0.941099 O\n0.696065 0.141483 0.047859 O\n0.303935 0.858517 0.952141 O\n0.196065 0.858517 0.452141 O\n0.803935 0.141483 0.547859 O\n0.356056 0.212850 0.012702 O\n0.643944 0.787150 0.987298 O\n0.856056 0.787150 0.487298 O\n0.143944 0.212850 0.512702 O\n0.240363 0.544113 0.073798 O\n0.759637 0.455887 0.926202 O\n0.740363 0.455887 0.426202 O\n0.259637 0.544113 0.573798 O\n0.074317 0.190280 0.230469 O\n0.925683 0.809720 0.769531 O\n0.574317 0.809720 0.269531 O\n0.425683 0.190280 0.730469 O\n0.794684 0.000277 0.328940 O\n0.205316 0.999723 0.671060 O\n0.294684 0.999723 0.171060 O\n0.705316 0.000277 0.828940 O\n0.597078 0.201652 0.080576 O\n0.402922 0.798348 0.919424 O\n0.097078 0.798348 0.419424 O\n0.902922 0.201652 0.580576 O\n0.308466 0.499345 0.286482 O\n0.691534 0.500655 0.713518 O\n0.808466 0.500655 0.213518 O\n0.191534 0.499345 0.786482 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Rb",
"La",
"Se",
"O"
],
"chemical_system": "La-O-Rb-Se",
"density": 3.1645141233712275,
"density_atomic": 0.054883875323426104,
"volume": 1238.9795654785976,
"volume_molar": 10.972513738346693,
"formula_full": "Rb4 La4 Se8 O52",
"formula_reduced": "RbLaSe2O13",
"formula_anonymous": "ABC2D13",
"energy": -381.3258342,
"energy_per_atom": -5.607732855882353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -372.9538342,
"band_gap": 0.7253000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0006925,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.038000Z",
"spacegroup": 14
},
{
"id": "mp-1209487",
"created_at": "2022-09-04T14:41:32.183073Z",
"structure_string": "Rb4 La4 Se8 O32\n1.0\n7.623787 0.000000 0.000000\n0.000000 9.103606 0.000000\n0.000000 0.312118 11.357777\nRb La Se O\n4 4 8 32\ndirect\n0.348851 0.432619 0.837942 Rb\n0.651149 0.567381 0.162058 Rb\n0.848851 0.567381 0.662058 Rb\n0.151149 0.432619 0.337941 Rb\n0.163737 0.943067 0.848009 La\n0.836263 0.056933 0.151991 La\n0.663737 0.056933 0.651991 La\n0.336263 0.943067 0.348009 La\n0.164153 0.188555 0.606607 Se\n0.835847 0.811445 0.393393 Se\n0.664153 0.811445 0.893393 Se\n0.335847 0.188555 0.106607 Se\n0.338680 0.722146 0.588810 Se\n0.661320 0.277854 0.411190 Se\n0.838680 0.277854 0.911190 Se\n0.161320 0.722146 0.088810 Se\n0.817038 0.869716 0.530899 O\n0.182962 0.130284 0.469101 O\n0.317038 0.130284 0.969101 O\n0.682962 0.869716 0.030899 O\n0.502835 0.908187 0.821365 O\n0.497165 0.091813 0.178635 O\n0.002835 0.091813 0.678635 O\n0.997165 0.908187 0.321365 O\n0.136279 0.367169 0.606260 O\n0.863721 0.632831 0.393740 O\n0.636279 0.632831 0.893740 O\n0.363721 0.367169 0.106260 O\n0.253351 0.702011 0.955657 O\n0.746649 0.297989 0.044343 O\n0.753351 0.297989 0.544343 O\n0.246649 0.702011 0.455657 O\n0.439491 0.887159 0.560430 O\n0.560509 0.112841 0.439570 O\n0.939491 0.112841 0.939570 O\n0.060509 0.887159 0.060430 O\n0.476536 0.592019 0.627843 O\n0.523464 0.407981 0.372157 O\n0.976536 0.407981 0.872157 O\n0.023464 0.592019 0.127843 O\n0.838097 0.860110 0.806268 O\n0.161903 0.139890 0.193732 O\n0.338097 0.139890 0.693732 O\n0.661903 0.860110 0.306268 O\n0.185233 0.746262 0.693025 O\n0.814767 0.253738 0.306975 O\n0.685233 0.253738 0.806975 O\n0.314767 0.746262 0.193025 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Rb",
"La",
"Se",
"O"
],
"chemical_system": "La-O-Rb-Se",
"density": 4.299790535279441,
"density_atomic": 0.06089248424739112,
"volume": 788.2746219547861,
"volume_molar": 9.889793189473973,
"formula_full": "Rb4 La4 Se8 O32",
"formula_reduced": "RbLa(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy": -307.68891153,
"energy_per_atom": -6.410185656875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -285.70491153,
"band_gap": 3.5194000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.643000Z",
"spacegroup": 14
},
{
"id": "mp-18658",
"created_at": "2022-09-04T14:41:51.988614Z",
"structure_string": "Rb4 La4 Si4 S16\n1.0\n6.633141 0.000000 0.000000\n0.000000 6.695798 0.000000\n0.000000 0.000000 17.569376\nRb La Si S\n4 4 4 16\ndirect\n0.464575 0.750000 0.216443 Rb\n0.964575 0.250000 0.283557 Rb\n0.535425 0.250000 0.783557 Rb\n0.035425 0.750000 0.716443 Rb\n0.286754 0.750000 0.475136 La\n0.786754 0.250000 0.024864 La\n0.713246 0.250000 0.524864 La\n0.213246 0.750000 0.975136 La\n0.284690 0.250000 0.088001 Si\n0.715310 0.750000 0.911999 Si\n0.215310 0.250000 0.588001 Si\n0.784690 0.750000 0.411999 Si\n0.909192 0.499842 0.893318 S\n0.409192 0.500158 0.606682 S\n0.090808 0.999842 0.106682 S\n0.590808 0.000158 0.393318 S\n0.409192 0.999842 0.606682 S\n0.090808 0.500158 0.106682 S\n0.909192 0.000158 0.893318 S\n0.590808 0.499842 0.393318 S\n0.038035 0.750000 0.339018 S\n0.538035 0.250000 0.160982 S\n0.961965 0.250000 0.660982 S\n0.461965 0.750000 0.839018 S\n0.629596 0.750000 0.029450 S\n0.129596 0.250000 0.470550 S\n0.370404 0.250000 0.970550 S\n0.870404 0.750000 0.529450 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"La",
"Si",
"S"
],
"chemical_system": "La-Rb-S-Si",
"density": 3.2406749180577115,
"density_atomic": 0.035882287507081605,
"volume": 780.3292918399925,
"volume_molar": 16.783045837898406,
"formula_full": "Rb4 La4 Si4 S16",
"formula_reduced": "RbLaSiS4",
"formula_anonymous": "ABCD4",
"energy": -161.13553346,
"energy_per_atom": -5.754840480714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.08753346,
"band_gap": 2.7607000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000949,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.125000Z",
"spacegroup": 62
},
{
"id": "mp-541600",
"created_at": "2022-09-04T14:42:17.141093Z",
"structure_string": "Rb1 La1 Ta2 O7\n1.0\n3.910394 0.000000 0.000000\n0.000000 3.910394 0.000000\n0.000000 0.000000 11.314458\nRb La Ta O\n1 1 2 7\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.203683 Ta\n0.000000 0.000000 0.796317 Ta\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.165590 O\n0.500000 0.000000 0.165590 O\n0.000000 0.500000 0.834410 O\n0.500000 0.000000 0.834410 O\n0.000000 0.000000 0.362983 O\n0.000000 0.000000 0.637017 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Rb",
"La",
"Ta",
"O"
],
"chemical_system": "La-O-Rb-Ta",
"density": 6.701846481550058,
"density_atomic": 0.06357961515192999,
"volume": 173.01142785646587,
"volume_molar": 9.47181065127475,
"formula_full": "Rb1 La1 Ta2 O7",
"formula_reduced": "RbLaTa2O7",
"formula_anonymous": "ABC2D7",
"energy": -101.48862438999998,
"energy_per_atom": -9.22623858090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.67962439,
"band_gap": 2.2853000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.5e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.196000Z",
"spacegroup": 123
},
{
"id": "mp-1219600",
"created_at": "2022-09-04T14:47:36.688141Z",
"structure_string": "Rb1 La2 Ti3 O9\n1.0\n2.812967 -4.872202 0.000000\n2.812967 4.872202 0.000000\n0.000000 0.000000 6.834416\nRb La Ti O\n1 2 3 9\ndirect\n0.000000 0.000000 0.000000 Rb\n0.666667 0.333333 0.331750 La\n0.333333 0.666667 0.668250 La\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.837882 Ti\n0.333333 0.666667 0.162118 Ti\n0.827642 0.172358 0.654207 O\n0.500000 0.500000 0.000000 O\n0.172358 0.827642 0.345793 O\n0.655283 0.827642 0.345793 O\n0.344717 0.172358 0.654207 O\n0.000000 0.500000 0.000000 O\n0.827642 0.655283 0.654207 O\n0.500000 0.000000 0.000000 O\n0.172358 0.344717 0.345793 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Rb",
"La",
"Ti",
"O"
],
"chemical_system": "La-O-Rb-Ti",
"density": 5.769323863986888,
"density_atomic": 0.08007001876344398,
"volume": 187.33603702923398,
"volume_molar": 7.521093229404129,
"formula_full": "Rb1 La2 Ti3 O9",
"formula_reduced": "RbLa2Ti3O9",
"formula_anonymous": "AB2C3D9",
"energy": -131.31600132,
"energy_per_atom": -8.754400088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.13300132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0703122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.003000Z",
"spacegroup": 164
},
{
"id": "mp-18605",
"created_at": "2022-09-04T14:46:25.760894Z",
"structure_string": "Rb2 La2 W4 O16\n1.0\n5.497121 5.281282 0.000000\n-5.497121 5.281282 0.000000\n0.000000 4.488150 6.325984\nRb La W O\n2 2 4 16\ndirect\n0.314042 0.314042 0.533487 Rb\n0.685958 0.685958 0.466513 Rb\n0.298682 0.701318 0.000000 La\n0.701318 0.298682 0.000000 La\n0.201113 0.201113 0.068280 W\n0.798887 0.798887 0.931720 W\n0.838930 0.161070 0.500000 W\n0.161070 0.838930 0.500000 W\n0.984768 0.984768 0.347289 O\n0.015232 0.015232 0.652711 O\n0.291165 0.038249 0.949059 O\n0.961751 0.708835 0.050941 O\n0.708835 0.961751 0.050941 O\n0.038249 0.291165 0.949059 O\n0.581590 0.581590 0.094415 O\n0.418410 0.418410 0.905585 O\n0.910478 0.656989 0.733688 O\n0.343011 0.089522 0.266312 O\n0.089522 0.343011 0.266312 O\n0.656989 0.910478 0.733688 O\n0.783398 0.306328 0.644063 O\n0.693672 0.216602 0.355937 O\n0.216602 0.693672 0.355937 O\n0.306328 0.783398 0.644063 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"La",
"W",
"O"
],
"chemical_system": "La-O-Rb-W",
"density": 6.5104061974869545,
"density_atomic": 0.06533990558650879,
"volume": 367.3099889656935,
"volume_molar": 9.21663523377272,
"formula_full": "Rb2 La2 W4 O16",
"formula_reduced": "RbLa(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -206.98815566,
"energy_per_atom": -8.624506485833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.24415566,
"band_gap": 3.7897,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.37e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.115000Z",
"spacegroup": 12
},
{
"id": "mp-1235193",
"created_at": "2022-09-04T14:44:51.699427Z",
"structure_string": "Rb1 Li1 Ag1 O2\n1.0\n3.083053 0.000000 0.000000\n0.000000 5.211348 0.000000\n0.000000 0.000000 5.741219\nRb Li Ag O\n1 1 1 2\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.277239 O\n0.000000 0.000000 0.722761 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O-Rb",
"density": 4.181363104162427,
"density_atomic": 0.05420443539671075,
"volume": 92.24337387533072,
"volume_molar": 11.110051633090967,
"formula_full": "Rb1 Li1 Ag1 O2",
"formula_reduced": "RbLiAgO2",
"formula_anonymous": "ABCD2",
"energy": -20.71921898,
"energy_per_atom": -4.1438437960000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.34521898,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0113904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.505000Z",
"spacegroup": 47
},
{
"id": "mp-1236284",
"created_at": "2022-09-04T14:47:38.792974Z",
"structure_string": "Rb1 Li1 Ag1 O2\n1.0\n3.561710 0.000000 0.000000\n0.000000 3.537702 0.000000\n0.000000 0.000000 6.323218\nRb Li Ag O\n1 1 1 2\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.205143 O\n0.000000 0.000000 0.794857 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O-Rb",
"density": 4.841000242570796,
"density_atomic": 0.06275553650020838,
"volume": 79.67424515577838,
"volume_molar": 9.596190385496909,
"formula_full": "Rb1 Li1 Ag1 O2",
"formula_reduced": "RbLiAgO2",
"formula_anonymous": "ABCD2",
"energy": -21.20542876,
"energy_per_atom": -4.241085752,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.83142876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2083205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.487000Z",
"spacegroup": 47
},
{
"id": "mp-1235473",
"created_at": "2022-09-04T14:46:09.824384Z",
"structure_string": "Rb1 Li1 Ag1 O2\n1.0\n3.395443 0.000000 0.000000\n0.000000 5.441710 0.000000\n0.000000 0.000000 5.897933\nRb Li Ag O\n1 1 1 2\ndirect\n0.500000 0.353246 0.500000 Rb\n0.000000 0.895452 0.500000 Li\n0.500000 0.021909 0.000000 Ag\n0.000000 0.039697 0.232663 O\n0.000000 0.039697 0.767337 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O-Rb",
"density": 3.5393327069686165,
"density_atomic": 0.04588157648192931,
"volume": 108.9762031600914,
"volume_molar": 13.125400698408544,
"formula_full": "Rb1 Li1 Ag1 O2",
"formula_reduced": "RbLiAgO2",
"formula_anonymous": "ABCD2",
"energy": -20.56163459,
"energy_per_atom": -4.112326918,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.18763459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3259122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.398000Z",
"spacegroup": 25
},
{
"id": "mp-1113747",
"created_at": "2022-09-04T14:41:33.720787Z",
"structure_string": "Rb2 Li1 Al1 F6\n1.0\n0.000000 4.113943 4.113943\n4.113943 0.000000 4.113943\n4.113943 4.113943 0.000000\nRb Li Al F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.774175 0.225825 0.225825 F\n0.225825 0.225825 0.774175 F\n0.225825 0.774175 0.774175 F\n0.225825 0.774175 0.225825 F\n0.774175 0.225825 0.774175 F\n0.774175 0.774175 0.225825 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Al",
"F"
],
"chemical_system": "Al-F-Li-Rb",
"density": 3.802145640470934,
"density_atomic": 0.07181169770010812,
"volume": 139.25307881956596,
"volume_molar": 8.386016419148008,
"formula_full": "Rb2 Li1 Al1 F6",
"formula_reduced": "Rb2LiAlF6",
"formula_anonymous": "ABC2D6",
"energy": -53.33389519,
"energy_per_atom": -5.333389519,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.56189519,
"band_gap": 7.248,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.242000Z",
"spacegroup": 225
},
{
"id": "mp-1113748",
"created_at": "2022-09-04T14:42:10.961697Z",
"structure_string": "Rb2 Li1 As1 F6\n1.0\n0.000000 4.262696 4.262696\n4.262696 0.000000 4.262696\n4.262696 4.262696 0.000000\nRb Li As F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 As\n0.244887 0.244887 0.755113 F\n0.244887 0.755113 0.755113 F\n0.755113 0.755113 0.244887 F\n0.244887 0.755113 0.244887 F\n0.755113 0.244887 0.755113 F\n0.755113 0.244887 0.244887 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"As",
"F"
],
"chemical_system": "As-F-Li-Rb",
"density": 3.931713550431716,
"density_atomic": 0.0645530727985072,
"volume": 154.91129339750427,
"volume_molar": 9.328976141534293,
"formula_full": "Rb2 Li1 As1 F6",
"formula_reduced": "Rb2LiAsF6",
"formula_anonymous": "ABC2D6",
"energy": -48.11056326,
"energy_per_atom": -4.811056326,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.33856326,
"band_gap": 4.5851,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.038000Z",
"spacegroup": 225
}
]
}